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89358-54-3 | 3-Hexanol, 4-(diphenylphosphinyl)-2-methoxy-3-methyl-
CAS No: 89358-54-3 Catalog No: AG003XQP MDL No:
Product Description
Catalog Number:
AG003XQP
Chemical Name:
3-Hexanol, 4-(diphenylphosphinyl)-2-methoxy-3-methyl-
CAS Number:
89358-54-3
Molecular Formula:
C20H27O3P
Molecular Weight:
346.4003
IUPAC Name:
4-diphenylphosphoryl-2-methoxy-3-methylhexan-3-ol
InChI:
InChI=1S/C20H27O3P/c1-5-19(20(3,21)16(2)23-4)24(22,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,19,21H,5H2,1-4H3
InChI Key:
UVJANSAXMLJUBZ-UHFFFAOYSA-N
SMILES:
CCC(P(=O)(c1ccccc1)c1ccccc1)C(C(OC)C)(O)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.17g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.407g/mol
Monoisotopic Mass:
346.17g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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